Filename = \\icnas1.cc.ic.ac.uk\ag7017\year2complab\ags_bh3_opt.log

bh3 optimisation
File Name = ags_bh3_opt
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 0
Spin = Singlet
E(RB3LYP) = -26.61532350 a.u.
RMS Gradient Norm = 0.00008174 a.u.
Imaginary Freq = 
Dipole Moment = 0.0003 Debye
Point Group = CS
Job cpu time:       0 days  0 hours  1 minutes 37.0 seconds.